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15728-06-0 | 2H-Isoindole-2-hexanoic acid, 1,3-dihydro-4-nitro-1,3-dioxo-
CAS No: 15728-06-0 Catalog No: AG001PCG MDL No:
Product Description
Catalog Number:
AG001PCG
Chemical Name:
2H-Isoindole-2-hexanoic acid, 1,3-dihydro-4-nitro-1,3-dioxo-
CAS Number:
15728-06-0
Molecular Formula:
C14H14N2O6
Molecular Weight:
306.2708
IUPAC Name:
6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoic acid
InChI:
InChI=1S/C14H14N2O6/c17-11(18)7-2-1-3-8-15-13(19)9-5-4-6-10(16(21)22)12(9)14(15)20/h4-6H,1-3,7-8H2,(H,17,18)
InChI Key:
RDDDCNAVGLYHTA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
NSC Number:
192707
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.274g/mol
Monoisotopic Mass:
306.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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